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Murcko scaffold

Ring system with 3 rings and 16 atoms

20 chemicals on CompoundList share this ring system.

Rings
3
Scaffold atoms
16
Chemicals
20
With full pages
0
Scaffold SMILES

C=C1C(=O)OC2C=CC3CCC(CCC12)O3

A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.

Substructure search with this scaffold
Murcko scaffold C=C1C(=O)OC2C=CC3CCC(CCC12)O3

Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.

Chemicals with this scaffold

Open one to see its structure, properties and suppliers.

Showing 1 to 20 of 20 chemicals

Niveusin C chemical structure, C20H26O7, CAS 75680-27-2
Niveusin C
CAS 75680-27-2C20H26O7
Orizabin chemical structure, C19H26O7, CAS 34367-14-1
Orizabin
CAS 34367-14-1C19H26O7
Zexbrevin B chemical structure, C19H24O7, CAS 34302-19-7
Zexbrevin B
CAS 34302-19-7C19H24O7
[(1R,2Z,4R,8R,9R,11R,12S)-1,12-Dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] (E)-2-methylbut-2-enoate chemical structure, C20H26O7
[(1R,2Z,4R,8R,9R,11R,12S)-1,12-Dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] (E)-2-methylbut-2-enoate
C20H26O7
[(2E,4R,8R,9R,13S)-13-Acetyloxy-1-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] 2-methylpropanoate chemical structure, C21H28O8
[(2E,4R,8R,9R,13S)-13-Acetyloxy-1-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] 2-methylpropanoate
C21H28O8
[(1S,2E,4R,8R,9R,11R,12S)-12-Hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] (Z)-2-methylbut-2-enoate chemical structure, C20H26O6
[(1S,2E,4R,8R,9R,11R,12S)-12-Hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] (Z)-2-methylbut-2-enoate
C20H26O6
[(2Z,4R,8R,9R,12S)-1,12-Dihydroxy-2-(hydroxymethyl)-11-methyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] (Z)-2-methylbut-2-enoate chemical structure, C20H26O8
[(2Z,4R,8R,9R,12S)-1,12-Dihydroxy-2-(hydroxymethyl)-11-methyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] (Z)-2-methylbut-2-enoate
C20H26O8
Woodhousin chemical structure, C21H28O8, CAS 33143-54-3
Woodhousin
CAS 33143-54-3C21H28O8
[(2Z)-12-Hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] (E)-2-methylbut-2-enoate chemical structure, C20H26O6, CAS 78657-58-6
[(2Z)-12-Hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] (E)-2-methylbut-2-enoate
CAS 78657-58-6C20H26O6
Niveusin A chemical structure, C20H26O8, CAS 75680-26-1
Niveusin A
CAS 75680-26-1C20H26O8
[(2Z)-1,12-Dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] 2-methylprop-2-enoate chemical structure, C19H24O7
[(2Z)-1,12-Dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] 2-methylprop-2-enoate
C19H24O7
Diversifolin chemical structure, C19H26O6, CAS 72502-84-2
Diversifolin
CAS 72502-84-2C19H26O6
[(2Z,8R)-1,12-Dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] 2-methylprop-2-enoate chemical structure, C19H24O7
[(2Z,8R)-1,12-Dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] 2-methylprop-2-enoate
C19H24O7
1beta-Methoxydiversifolin 3-O-methyl ether chemical structure, C21H30O7, CAS 194474-71-0
1beta-Methoxydiversifolin 3-O-methyl ether
CAS 194474-71-0C21H30O7
Niveusin B chemical structure, C20H26O7, CAS 75680-25-0
Niveusin B
CAS 75680-25-0C20H26O7
Niveusin a chemical structure, C20H26O8
Niveusin a
C20H26O8
Tagitinin B chemical structure, C19H26O7, CAS 59979-59-8
Tagitinin B
CAS 59979-59-8C19H26O7
1beta-Methoxydiversifolin chemical structure, C20H28O7, CAS 110382-36-0
1beta-Methoxydiversifolin
CAS 110382-36-0C20H28O7
[(1S,2Z,4R,8R,9R,11R,12S)-1,12-Dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] (Z)-2-methylbut-2-enoate chemical structure, C20H26O7
[(1S,2Z,4R,8R,9R,11R,12S)-1,12-Dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] (Z)-2-methylbut-2-enoate
C20H26O7
(Hydroxy-dimethyl-methylene-oxo-[?]yl) (Z)-2-methylbut-2-enoate chemical structure, C20H26O6
(Hydroxy-dimethyl-methylene-oxo-[?]yl) (Z)-2-methylbut-2-enoate
C20H26O6